SCHEMBL3967926

SCHEMBL3967926

Cc1c(NCc2ccc(Oc3ccc(CCC(=O)O)cc3)cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
FFAR1 O14842 8/20 0.55
FFAR4 Q5NUL3 3/20 0.55
GNA15 P30679 1/20 0.48
PTGER3 P43115 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR3C1 P04150 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SRD5A2 P31213 1/20 0.44
LMNA P02545 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3968899 0.91 ALDH1A1 (0.53) ALDH1A1FFAR1FFAR4CYP1A2CYP3A4
SCHEMBL3959791 0.88 MAPT (0.53) ALDH1A1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL3970673 0.85 NR3C1 (0.50) ALDH1A1FFAR1CYP1A2CYP3A4CYP2D6
SCHEMBL3970667 0.85 NR3C1 (0.50) ALDH1A1FFAR1CYP1A2CYP3A4CYP2D6
SCHEMBL3970361 0.83 MAPT (0.48) ALDH1A1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL3968423 0.82 ALDH1A1 (0.46) ALDH1A1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL7178613 0.82 MAPT (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3964927 0.81 NR3C1 (0.47) ALDH1A1FFAR1TDP1CYP1A2CYP3A4
SCHEMBL3964922 0.81 NR3C1 (0.47) ALDH1A1FFAR1TDP1CYP1A2CYP3A4
SCHEMBL7675964 0.79 MAPT (0.43) ALDH1A1TDP1CYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 EP disclosed
US-6583180-B2 Antidiabetic agents ABBOTT LABORATORIES 2003-06-24 US disclosed
US-20020156311-A1 Glucocorticoid receptor modulators KARO BIO AB (SE) 2002-10-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020156311-A1 Glucocorticoid receptor modulators NR3C1, NR5A1, NR3C2 ALDH1A1 1310/4885FFAR1 54/4885FFAR4 102/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.